(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol

C19H18FN7O — CID 68524394

IUPAC(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol
SMILESOC[C@@H](c1ccc(F)cc1)n1cnc2cnc(Nc3cc(C4CC4)[nH]n3)nc21
InChIInChI=1S/C19H18FN7O/c20-13-5-3-12(4-6-13)16(9-28)27-10-22-15-8-21-19(24-18(15)27)23-17-7-14(25-26-17)11-1-2-11/h3-8,10-11,16,28H,1-2,9H2,(H2,21,23,24,25,26)/t16-/m0/s1
InChIKeyTYGCQFIBGXGTGE-INIZCTEOSA-N
MW379.40 g/mol
LogP2.89
Rot. Bonds6

About (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol

(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol (PubChem CID 68524394) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol
PubChem CID68524394
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol
SMILESOC[C@@H](c1ccc(F)cc1)n1cnc2cnc(Nc3cc(C4CC4)[nH]n3)nc21
InChIInChI=1S/C19H18FN7O/c20-13-5-3-12(4-6-13)16(9-28)27-10-22-15-8-21-19(24-18(15)27)23-17-7-14(25-26-17)11-1-2-11/h3-8,10-11,16,28H,1-2,9H2,(H2,21,23,24,25,26)/t16-/m0/s1
InChIKeyTYGCQFIBGXGTGE-INIZCTEOSA-N
XLogP2.89
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol with MolForge

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Related Compounds

9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]purin-2-amine
CID 69150294
2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 161194042
(2R)-2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-2-(4-fluorophenyl)ethanol
CID 68900059
(2R)-2-[[3-amino-5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol
CID 67456086
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 91230883
1-[[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]butan-2-ol
CID 67318282
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrimidin-4-yl]amino]propan-1-ol
CID 68901137
(2R)-2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
CID 171851734
3-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[1-(4-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-5-amine
CID 69174008
5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 91600745
5-bromo-2-N-(2-bromo-4-fluorophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 59758133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol (CID 68524394) is (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol is OC[C@@H](c1ccc(F)cc1)n1cnc2cnc(Nc3cc(C4CC4)[nH]n3)nc21.
What is the InChIKey of (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol?
The InChIKey is TYGCQFIBGXGTGE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FN7O/c20-13-5-3-12(4-6-13)16(9-28)27-10-22-15-8-21-19(24-18(15)27)23-17-7-14(25-26-17)11-1-2-11/h3-8,10-11,16,28H,1-2,9H2,(H2,21,23,24,25,26)/t16-/m0/s1.
What are the key properties of (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol?
(2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol has a molecular weight of 379.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]purin-9-yl]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 68524394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).